BERNARDIOSIDE B-2
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 163024211
Name
BERNARDIOSIDE B-2
IUPAC name
(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl (4aS,5S,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-5-carboxylate
SMILES
[C@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@H]([C@H](C2)C(=O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCC(C1)(C)C)C)C)C)(C)CO)O)O
Molecular formula
C48H78O19
Molecular weight
959.13 g/mol
Monoisotopic mass
958.5137 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bellis perennis L. | flower | - |
Morikawa, T., Li, X., Nishida, E., Ito, Y., Matsuda, H., Nakamura, S., Muraoka, O., Yoshikawa, M. (2008). Perennisosides i-vii, acylated triterpene saponins with antihyperlipidemic activities from the flowers of Bellis perennis. J Nat Prod, 71(5), 828-835 doi:10.1021/np8000333
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